@MOLECULE 5-methyl-1-hexene 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.4811 0.0207 0.3324 C.3 1 UNL1111111 -0.0583 2 C -0.3056 0.8505 -0.2182 C.3 1 UNL1111111 -0.2833 3 C 1.0034 0.6233 0.5573 C.3 1 UNL1111111 -0.2888 4 C -1.2662 -1.4801 0.1098 C.3 1 UNL1111111 -0.4544 5 C -2.7828 0.4646 -0.3500 C.3 1 UNL1111111 -0.4575 6 C 1.9220 -0.3115 -0.1633 C.2 1 UNL1111111 -0.0993 7 C 3.2391 -0.1216 -0.2408 C.2 1 UNL1111111 -0.3540 8 H -1.5711 0.2121 1.4293 H 1 UNL1111111 0.1278 9 H -0.1588 0.6294 -1.2917 H 1 UNL1111111 0.1444 10 H -0.5706 1.9245 -0.1771 H 1 UNL1111111 0.1362 11 H 1.4979 1.5985 0.7415 H 1 UNL1111111 0.1440 12 H 0.7890 0.2172 1.5686 H 1 UNL1111111 0.1529 13 H -2.1222 -2.0607 0.4701 H 1 UNL1111111 0.1422 14 H -1.1335 -1.7132 -0.9519 H 1 UNL1111111 0.1442 15 H -0.3788 -1.8391 0.6424 H 1 UNL1111111 0.1443 16 H -3.6437 -0.0849 0.0454 H 1 UNL1111111 0.1430 17 H -2.9743 1.5311 -0.1935 H 1 UNL1111111 0.1411 18 H -2.7484 0.2883 -1.4303 H 1 UNL1111111 0.1452 19 H 1.4370 -1.1737 -0.6205 H 1 UNL1111111 0.1418 20 H 3.9070 -0.7972 -0.7503 H 1 UNL1111111 0.1440 21 H 3.7530 0.7197 0.1946 H 1 UNL1111111 0.1443 @BOND 1 18 5 1 2 9 2 1 3 14 4 1 4 20 7 1 5 19 6 1 6 5 17 1 7 5 16 1 8 5 1 1 9 7 6 2 10 7 21 1 11 2 10 1 12 2 1 1 13 2 3 1 14 6 3 1 15 4 1 1 16 4 13 1 17 4 15 1 18 1 8 1 19 3 11 1 20 3 12 1